N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C17H19N3O3S — CID 24978654

IUPACN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-14-5-2-1-4-13(14)19-7-9-20(10-8-19)16(22)12-18-17(23)15-6-3-11-24-15/h1-6,11,21H,7-10,12H2,(H,18,23)
InChIKeySMNZJLAOBMNZSQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.53
Rot. Bonds4

About N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 24978654) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID24978654
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-14-5-2-1-4-13(14)19-7-9-20(10-8-19)16(22)12-18-17(23)15-6-3-11-24-15/h1-6,11,21H,7-10,12H2,(H,18,23)
InChIKeySMNZJLAOBMNZSQ-UHFFFAOYSA-N
XLogP1.53
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 24978654) is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SMNZJLAOBMNZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-14-5-2-1-4-13(14)19-7-9-20(10-8-19)16(22)12-18-17(23)15-6-3-11-24-15/h1-6,11,21H,7-10,12H2,(H,18,23).
What are the key properties of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24978654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).